SCHEMBL4305103

SCHEMBL4305103

O=C1Nc2ccc(F)cc2/C1=C1\OCc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.43
PDGFRB P09619 6/20 0.41
KDR P35968 6/20 0.41
KIT P10721 5/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NSD2 O96028 6/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
HTT P42858 1/20 0.38
FLT3 P36888 2/20 0.37
FGFR1 P11362 1/20 0.36
TLK2 Q86UE8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4305106 1.00 LRRK2 (0.43) LRRK2PDGFRBKDRKITALDH1A1
SCHEMBL4311501 0.91 LRRK2 (0.46) LRRK2PDGFRBKDRKITSMN1; SMN2
SCHEMBL4311506 0.91 LRRK2 (0.46) LRRK2PDGFRBKDRKITSMN1; SMN2
SCHEMBL4306725 0.90 KCNJ1 (0.51) LRRK2PDGFRBKDRKITKCNJ1
SCHEMBL4306722 0.90 KCNJ1 (0.51) LRRK2PDGFRBKDRKITKCNJ1
SCHEMBL4302869 0.89 PDGFRB (0.40) LRRK2PDGFRBKDRKCNH2
SCHEMBL4307646 0.89 FLT3 (0.38) LRRK2PDGFRBKDRKITKCNJ1
SCHEMBL4302870 0.89 PDGFRB (0.40) LRRK2PDGFRBKDRKCNH2
SCHEMBL4307640 0.89 FLT3 (0.38) LRRK2PDGFRBKDRKITKCNJ1
SCHEMBL4308834 0.88 PRMT5 (0.40) LRRK2PDGFRBKDRKITKCNJ1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
WO-2010099368-A1 OCULAR IMPLANTS COMPRISING KINASE INHIBITORS ALLERGAN, INC. (US) 2010-09-02 WO disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 LRRK2 848/4885PDGFRB 368/4885KDR 51/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 LRRK2 848/4885PDGFRB 368/4885KDR 51/4885
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 LRRK2 545/4885PDGFRB 502/4885KDR 320/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 LRRK2 848/4885PDGFRB 368/4885KDR 51/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.